3X1F
H294M mutant of copper-containing nitrite reductase from Geobacillus thermodenitrificans
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SPRING-8 BEAMLINE BL38B1 |
| Synchrotron site | SPring-8 |
| Beamline | BL38B1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2013-04-13 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 0.78000 |
| Spacegroup name | H 3 |
| Unit cell lengths | 114.977, 114.977, 84.138 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 18.360 - 1.350 |
| R-factor | 0.09305 |
| Rwork | 0.092 |
| R-free | 0.11523 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3WKO |
| RMSD bond length | 0.019 |
| RMSD bond angle | 2.024 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0049) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.390 |
| High resolution limit [Å] | 1.350 | 1.350 |
| Number of reflections | 76384 | |
| <I/σ(I)> | 14.3 | 2.9 |
| Completeness [%] | 97.0 | 99.7 |
| Redundancy | 2.9 | 2.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 4.5 | 293 | 0.1 M acetate buffer, 5.0%(w/v) PEG 4000, 75 mM CuSO4, pH 4.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
